First-principles calculations for point defects in solids

Reviews of Modern Physics

Volumn 86, Issue 1, 2014, Pages 253-305

  Freysoldt, Christoph ^a,b,c   Grabowski, Blazej ^a,b,c   Hickel, Tilmann ^a,b,c   Neugebauer, Jörg ^a,b,c   Kresse, Georg ^a,b,c   Janotti, Anderson ^a,b,c   Van De Walle, Chris G ^a,b,c  

^a MAX PLANCK INSTITUT FÜR EISENFORSCHUNG GMBH   (Germany)

^b UNIVERSITY OF VIENNA   (Austria)

^c University of California   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARACTERIZATION; CRYSTALLINE MATERIALS; DEFECTS; ELECTRONIC STRUCTURE; PHYSICAL PROPERTIES; POINT DEFECTS;

DEFECT FORMATION ENERGIES; DEFECTS AND IMPURITIES; ELECTRONIC STRUCTURE CALCULATIONS; EXCHANGE-CORRELATION FUNCTIONALS; FIRST-PRINCIPLES CALCULATION; PHYSICAL PROPERTIES OF MATERIALS; THERMODYNAMIC FORMALISM; THERMODYNAMIC QUANTITIES;

CALCULATIONS;

EID: 84899731030     PISSN: 00346861     EISSN: 15390756     Source Type: Journal    
DOI: 10.1103/RevModPhys.86.253     Document Type: Article

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